SCHEMBL6334752

SCHEMBL6334752

CCCCCn1c(-c2ccc(SC(C)(C)C(=O)O)cc2)nc(C(=O)Nc2ccc(F)cc2F)c1C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.53
PPARD Q03181 1/20 0.53
PPARA Q07869 1/20 0.53
NPSR1 Q6W5P4 3/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6329041 0.93 PPARG (0.45) PPARGPPARDPPARATRPV4ALDH1A1
SCHEMBL6329921 0.93 PPARG (0.46) PPARGPPARDPPARATRPV4ALDH1A1
SCHEMBL6334908 0.92 PPARG (0.43) PPARGPPARDPPARAGAATRPV4
SCHEMBL6330344 0.89 PPARG (0.40) PPARGPPARDPPARATRPV4ALDH1A1
SCHEMBL6328235 0.89 PPARG (0.44) PPARGPPARDPPARANPSR1RAB9A
SCHEMBL6335301 0.87 PPARG (0.42) PPARGPPARDPPARA
SCHEMBL6327220 0.86 RORC (0.38) PPARGPPARDPPARARAB9ANPC1
SCHEMBL6328165 0.86 PPARG (0.47) PPARGPPARDPPARATRPV4
SCHEMBL6327387 0.85 NPY1R (0.39) PPARGPPARDPPARACYP1A2CYP3A4
SCHEMBL6330468 0.85 PPARG (0.37) PPARGPPARDPPARARAB9ANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014805-A1 Phenyl substituted 5-membered nitrogen containing heterocycles for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION 2005-01-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050014805-A1 Phenyl substituted 5-membered nitrogen containing heterocycles for the treatment of obesity GPR119, EGLN3, PC PPARG 13/4885PPARD 55/4885PPARA 49/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.